1.Search by Keywords

The homepage of GreenMolBD database can be accessed by (https://greenmolbd.gov.bd) or by clicking on GreenMolBD logo/image or clicking on “Home” option from anywhere of the site. By clicking the options over the search bar and typing keywords in search bar users can access a new page where they will get expected data.

1.1.Search by Plant

Users can Search Plant by many keywords: name, synonym, common name or family name. To search plant at first user has to click on “plant” option over the search box then type on search box any key words.

1.2.Search by Compound

Users can Search Compound by many keywords: name, synonym or IUPAC name. To search compound at first user has to click on “compound” option over the search box then type on search box any key words.

1.3.Search by Target

Users can search Target for compound by two keywords: Compound name or target name. To search target at first user has to click on “Target” option over the search box then type on search box any key words.

1.4.Search by disease

Users can search plant by disease name. To search target at first user has to click on “Disease” option over the search box then type on search box a disease name.

2.Browse the Database

Users can access Browse page by clicking on “Browse” option. Here user can browse by important parameter of plants, compounds, targets and diseases.

2.1.Browse by plants

Part-1: Here all plants of Database are categorized by alphabetical order in bar diagram. Clicking on a bar users will redirect to a page on new tab and will get corresponding plant list.

Part-2: By clicking on a plant name user will redirect to specific plant page.

2.2.Browse by Compounds

Here all compounds are classified according to their different characteristics. Users can browse to specific compound page by clicking directed way.

2.2.1.Browse by compound classification

Users can access to a collapsible tree menu by clicking in an area of pie diagram which are categorize to Organic and Inorganic sub-classes.

Part-2: Users can extend each class by clicking in “+” sig

Part-3: Users will get a list of compounds by clicking on the respective digit.

Part-4: Users will get specific page of compound by clicking on respective compound name.

2.2.2.Browse by compound name

Part-1: Users can browse to compound list by clicking on a column which are categorized according to their name.

Part-2: Users can access to specific compound page by clicking on corresponding compound name.

2.2.3.Browse by molecular weight

Part-1: Users can browse by molecular weight of compound. Here all columns are categorized according to a range of molecular weight. Users will get corresponding compound list by clicking on a column.

Part-2: Users can access to a specific compound page by clicking on specific compound name.

2.2.4.Browse by Exact Molecular Mass

Part-1: User can also search compound on the basis of compound molecular mass. Here all compounds are classified according to their molecular mass range. By clicking on a bar users redirect to a corresponding page in new tab with the compound list.

Part-2: Users can access to a specific compound page by clicking on specific compound name.

2.2.5.Browse by Drug-Likeliness Test

Part-1: Users can search compound by their Drug-Likeliness Test value. Here Lipinski's rule of five is considered YES for 0-2 and considered NO for 3-4. Jorgensen's rule of three considered YES for 0-1 value and NO for 2-3 value. User can redirect to a page in new tab with corresponding compound list.

Part-2: Users can access to specific compound page by clicking on a compound name.

2.2.6.Browse by Quantum information (Dipole Moment)

Part-1: Users can search compound by their dipole moment value. Here all compounds are categorized according to their dipole moment value.

Part-2: Users can access to a specific compound page by clicking on specific compound name.

2.2.7.Browse by Toxicity properties

User can browse by compound toxicology study (TOPKAT). All compounds are categorized according to their TOPKAT properties.

2.3.Browse by Target

Part-1: Users can browse by Target. All compounds are categorized by alphabetical order. By clicking on a bar users will redirect to a corresponding target list page in a new tab.

Part-2: By clicking on a target name, users will get a compound list which are associated with corresponding target.

Part-3: By clicking on a compound name, users will redirect to corresponding specific compound page.

2.4.Browse by activities

Part-1: Here all plants are categorized according to their pharmacological activity. By clicking on a specific disease, user will redirect to corresponding plant list.

Part-2: Here is the corresponding plant list of the activity. By clicking on a specific plant name user will redirect to specific plant webpage.

3.Advance Search

Here advance users can search a/a set of compounds by drawing the compound or by putting the value of different properties.

4.Webpage of specific plant

Users can search a specific plant page by plant name from “Home page” or by clicking on a plant name from anywhere of database.

4.1.Plant profile

Here given plant name, family name, plant synonym, family synonym, common name, local availability, worldwide availability, botanical description, common ethnobotanical use and a high-quality image of plant. All information’s are given with reference.

4.2.Chemical Constituents

Here given a list of all compounds that are reported in several articles with their references and plant parts from where these compounds are isolated. By clicking on a specific compound name, users will redirect to a specific compound page. A user will be able to see the corresponding reference by clicking on a reference number.

4.3.Pharmacological Evidence

Here given pharmacological in-vivo activity result of the different part and extract of the plant with reference. User will see the reference by clicking on a reference number.

4.4.References

Here given all references related to this plant information

5.Webpage of specific Compound

User can search a compound by compound name from “Home page”. User can also find a specific compound page by clicking on a compound name from anywhere of the database. Here given compound related in-silico information and this page is design with a content list for user friendliness.

5.1.Compound Profile

A specific compound page design with several descriptors. Physical descriptor consists of GreenMolBD CID, Molecular Formula, Molecular Weight, Exact Molecular Mass, IUPAC Name, InChI, InChI Key, Canonical SMILES, Isomeric SMILES and cross reference.

5.2.Compound Classification

By scrolling down or by clicking on “Classification” of the content list from left, user will redirect to classification part of compound. Here given description of specific compoud class and compound is classified by taxonomy tree.

5.3.Physical properties, Quantum Information and compound Reactivity

By scrolling down or by clicking on a specific content of the content list from left, user will find physical properties, Quantum Information and compound Reactivity.

5.4.Target properties and Drug-likeliness test

By scrolling down or by clicking on specific content of content list from left, user will find Target properties and Drug-likeliness test. Here Lipinski's rule of five considered “Yes” for value of 0-2 range and “No” for value of 3-4 range. Jorgensen's rule of three considered “Yes” for value of 0-1 range and “No” for value of 2-3 range.

5.5.compound synonyms

Here given all kind of compound synonyms of specific compound.

5.6.Compound in Different Parts

Here given a list of plant with plant part and reference which consist of same Compound. By clicking on a plant name user will redirect to corresponding plant page.

5.7.Targets

Here given a table of target name which have been reported in various databases against this compound. Besides target name, in this table has Gene Symbol, Organism. Protein Crystal Complex, Potency, Ki, IC50 and Kd information.

5.8.Chemical Vendors

Here given a table of vendors of the compound with SID and source details.

6.Downloads

Part-1: All data can be freely downloaded from a compound specific page. User can be able to download 2D, 3D (Molecular Mechanics) and 3D (Semi-empirical) SDF structure of compound.

Part-2: User can also download a list of compounds by selecting specific compounds or all compounds from list.

7.Images and Structure

Part-1: 3D structure; By clicking on “3D Structure” option, 3D structure of the compound will be shown.

Part-2: 2D structure; By clicking on “2D Structure” option, 2D structure of the compound will be shown.

Part-3: Plant picture; High quality picture of plants/plants part were given in a specific plant page. User can see these pictures by default.